受强制性开放获取政策约束的文章 - Carine MICHEL了解详情
无法在其他位置公开访问的文章：4 篇
Formation of Acrylates from Ethylene and CO2 on Ni Complexes: A Mechanistic Viewpoint from a Hybrid DFT Approach
W Guo, C Michel, R Schwiedernoch, R Wischert, X Xu, P Sautet
Organometallics 33 (22), 6369-6380, 2014
强制性开放获取政策： 国家自然科学基金委员会
Study of a novel hepta-coordinated FeIII bimetallic complex with an unusual 1, 2, 4, 5-tetrazine-ring opening
MA Lemes, A Pialat, SN Steinmann, I Korobkov, C Michel, M Murugesu
Polyhedron 108, 163-168, 2016
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Toward a realistic surface state of ru in aqueous and gaseous environments
MA Ramzan, R Wischert, SN Steinmann, C Michel
The Journal of Physical Chemistry Letters 14 (18), 4241-4246, 2023
强制性开放获取政策： Agence Nationale de la Recherche
Co–Ru nanoalloy catalysts for the acceptorless dehydrogenation of alcohols
B Azeredo, T Ben Ghzaiel, N Huang, K Kaźmierczak, W Shen, G Wang, ...
ACS Applied Nano Materials 5 (4), 5733-5744, 2022
强制性开放获取政策： Agence Nationale de la Recherche
可在其他位置公开访问的文章：42 篇
Ethanol electro-oxidation on palladium revisited using polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) and density functional theory (DFT): why …
EA Monyoncho, SN Steinmann, C Michel, EA Baranova, TK Woo, ...
Acs Catalysis 6 (8), 4894-4906, 2016
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Computationally exploring confinement effects in the methane-to-methanol conversion over iron-oxo centers in zeolites
F Goltl, C Michel, PC Andrikopoulos, AM Love, J Hafner, I Hermans, ...
Acs Catalysis 6 (12), 8404-8409, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy
Rational design of selective metal catalysts for alcohol amination with ammonia
T Wang, J Ibañez, K Wang, L Fang, M Sabbe, C Michel, S Paul, ...
Nature Catalysis 2 (9), 773-779, 2019
强制性开放获取政策： Agence Nationale de la Recherche
Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111)
P Wang, SN Steinmann, G Fu, C Michel, P Sautet
ACS Catalysis 7 (3), 1955-1959, 2017
强制性开放获取政策： 国家自然科学基金委员会
Structural, Kinetic, and Theoretical Studies on Models of the Zinc‐Containing Phosphodiesterase Active Center: Medium‐Dependent Reaction Mechanisms
K Selmeczi, C Michel, A Milet, I Gautier‐Luneau, C Philouze, JL Pierre, ...
Chemistry–A European Journal 13 (32), 9093-9106, 2007
强制性开放获取政策： German Research Foundation
Force field for water over Pt (111): Development, assessment, and comparison
SN Steinmann, R Ferreira De Morais, AW Gotz, P Fleurat-Lessard, ...
Journal of chemical theory and computation 14 (6), 3238-3251, 2018
强制性开放获取政策： US National Science Foundation
Solvation free energies and adsorption energies at the metal/water interface from hybrid quantum-mechanical/molecular mechanics simulations
P Clabaut, B Schweitzer, AW Gotz, C Michel, SN Steinmann
Journal of Chemical Theory and Computation 16 (10), 6539-6549, 2020
强制性开放获取政策： US National Science Foundation, Agence Nationale de la Recherche
Decomposition mechanism of anisole on Pt (111): Combining single-crystal experiments and first-principles calculations
R Réocreux, CA Ould Hamou, C Michel, JB Giorgi, P Sautet
ACS Catalysis 6 (12), 8166-8178, 2016
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
T Wang, J Sha, M Sabbe, P Sautet, M Pera-Titus, C Michel
Nature communications 12 (1), 5100, 2021
强制性开放获取政策： Agence Nationale de la Recherche
Group additivity for aqueous phase thermochemical properties of alcohols on Pt (111)
GH Gu, B Schweitzer, C Michel, SN Steinmann, P Sautet, DG Vlachos
The Journal of Physical Chemistry C 121 (39), 21510-21519, 2017
强制性开放获取政策： US National Science Foundation
The impact of water on Ru-catalyzed olefin metathesis: potent deactivating effects even at low water concentrations
CO Blanco, J Sims, DL Nascimento, AY Goudreault, SN Steinmann, ...
ACS catalysis 11 (2), 893-899, 2021
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada, Research …
Ten facets, one force field: The GAL19 force field for water–noble metal interfaces
P Clabaut, P Fleurat-Lessard, C Michel, SN Steinmann
Journal of Chemical Theory and Computation 16 (7), 4565-4578, 2020
强制性开放获取政策： Agence Nationale de la Recherche
Computational screening for selective catalysts: Cleaving the CC bond during ethanol electro-oxidation reaction
EA Monyoncho, SN Steinmann, P Sautet, EA Baranova, C Michel
Electrochimica Acta 274, 274-278, 2018
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide
YM Hajar, L Treps, C Michel, EA Baranova, SN Steinmann
Catalysis Science & Technology, 2019
强制性开放获取政策： Canadian Institutes of Health Research, Natural Sciences and Engineering …
C–H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten (IV)–Oxo Complex
KW Chan, E Lam, V D’anna, F Allouche, C Michel, OV Safonova, P Sautet, ...
Journal of the American Chemical Society 140 (36), 11395-11401, 2018
强制性开放获取政策： Swiss National Science Foundation
Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H 2 O/Pt (111) interface
B Schweitzer, SN Steinmann, C Michel
Physical Chemistry Chemical Physics 21 (10), 5368-5377, 2019
强制性开放获取政策： Agence Nationale de la Recherche
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